UCSF

ZINC31653941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 7.9 -36.33 2 4 1 43 289.399 7
Hi High (pH 8-9.5) 3.09 5.83 -7.11 1 4 0 42 288.391 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )